N-[2-(butylamino)-5-morpholin-4-ylsulfonyl-phenyl]cyclohex-3-ene-1-carboxamide

Systemtic Name: N-[2-(butylamino)-5-morpholin-4-ylsulfonyl-phenyl]cyclohex-3-ene-1-carboxamide Openeye Name: N-[2-(butylamino)-5-morpholinosulfonyl-phenyl]cyclohex-3-ene-1-carboxamide CAS Name: N-[2-(butylamino)-5-(4-morpholinylsulfonyl)phenyl]-1-cyclohex-3-enecarboxamide IUPAC Name: N-[2-(butylamino)-5-morpholin-4-ylsulfonylphenyl]cyclohex-3-ene-1-carboxamide Traditional Name: N-[2-(butylamino)-5-morpholinosulfonyl-phenyl]cyclohex-3-ene-1-carboxamide Formula: C21H31N3O4S MolecularWeight: 421.55354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3CCC=CC3

Isomeric SMILES

CCCCNC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3CCC=CC3

InChI

InChI=1S/C21H31N3O4S/c1-2-3-11-22-19-10-9-18(29(26,27)24-12-14-28-15-13-24)16-20(19)23-21(25)17-7-5-4-6-8-17/h4-5,9-10,16-17,22H,2-3,6-8,11-15H2,1H3,(H,23,25)